2-(dimethylamino)-N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide

• ChemBase编号: 408162
• 分子式: C20H27N3O
• 平均质量: 325.44788
• 单一同位素质量: 325.2154125
• SMILES: C(=O)(C(c1cc(ccc1)C)N(C)C)N(Cc1nc(cc(c1)C)C)C
• Canonical SMILES: Cc1cccc(c1)C(C(=O)N(Cc1cc(C)cc(n1)C)C)N(C)C
• InChI: InChI=1S/C20H27N3O/c1-14-8-7-9-17(11-14)19(22(4)5)20(24)23(6)13-18-12-15(2)10-16(3)21-18/h7-12,19H,13H2,1-6H3
• InChIKey: VQPPIDIZGPBUPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)-N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide
• IUPAC传统名: 2-(dimethylamino)-N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide
• 别名: 2-(dimethylamino)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(3-methylphenyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.74202174
• LogD (pH = 7.4): 2.6847668
• Log P: 2.9914773
• 摩尔折射率: 98.6536 cm^3
• 极化性: 38.112637 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.18
• LOG S: -2.99
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 5